N-tert-butyl-1-phenylmethanesulfonamide

C11H17NO2S — CID 562762

IUPACN-tert-butyl-1-phenylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12-15(13,14)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyIRIVGVXUWNPUAQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.90
Rot. Bonds3

About N-tert-butyl-1-phenylmethanesulfonamide

N-tert-butyl-1-phenylmethanesulfonamide (PubChem CID 562762) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-phenylmethanesulfonamide
PubChem CID562762
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-tert-butyl-1-phenylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12-15(13,14)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyIRIVGVXUWNPUAQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanesulfonamide
CID 78318
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
N-methyl-1-phenylmethanesulfonamide
CID 290582
(1E)-2-Phenylethenesulfonamide
CID 5357731
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
N-[2-(benzylsulfanyl)ethyl]methanesulfonamide
CID 2197817
N-Methyl-2-phenylethene-1-sulfonamide
CID 2427246
Fluoro(phenyl)methanesulfonamide
CID 11355950
N-(3-phenylpropyl)methanesulfonamide
CID 1744854

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenylmethanesulfonamide?
The IUPAC name of N-tert-butyl-1-phenylmethanesulfonamide (CID 562762) is N-tert-butyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-tert-butyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-tert-butyl-1-phenylmethanesulfonamide is CC(C)(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-tert-butyl-1-phenylmethanesulfonamide?
The InChIKey is IRIVGVXUWNPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)12-15(13,14)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of N-tert-butyl-1-phenylmethanesulfonamide?
N-tert-butyl-1-phenylmethanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 562762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).